Geometry & MOs

Info

ID:	3558
PubChem CID:	9791
Reduced:	O3C19H24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-138.99
Dipole, Da:	5.97
IP(EA), eV:	-9.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4=O)C

DOS

IR

Vibrations